N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine

C16H22N4O — CID 80879172

IUPACN-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
SMILESCNc1nc(OCCN2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-18-14-8-4-3-7-13(14)15(19-16)21-12-11-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18,19)
InChIKeyRKQXUAWCPVVPEC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine

N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine (PubChem CID 80879172) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
PubChem CID80879172
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
SMILESCNc1nc(OCCN2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-18-14-8-4-3-7-13(14)15(19-16)21-12-11-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18,19)
InChIKeyRKQXUAWCPVVPEC-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
CID 115943140
4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
CID 80870725
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimido[4,5-b]quinoline
CID 150369278
[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
CID 106768736
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]methanol
CID 63376244
N-methyl-6-(2-pyrrolidin-1-ylethoxy)pyridin-2-amine
CID 80870610
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine?
The IUPAC name of N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine (CID 80879172) is N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine.
What is the SMILES notation for N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine?
The canonical SMILES for N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine is CNc1nc(OCCN2CCCCC2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine?
The InChIKey is RKQXUAWCPVVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-16-18-14-8-4-3-7-13(14)15(19-16)21-12-11-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine?
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine is sourced from PubChem (CID 80879172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).